[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate

C19H24N2O5 — CID 8560350

IUPAC[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
SMILESCCOc1ccccc1/C=C/C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O
InChIInChI=1S/C19H24N2O5/c1-2-25-16-9-4-3-7-14(16)10-11-18(23)26-13-17(22)21-12-6-5-8-15(21)19(20)24/h3-4,7,9-11,15H,2,5-6,8,12-13H2,1H3,(H2,20,24)/b11-10+/t15-/m1/s1
InChIKeyBZFPRWUZTVGUIJ-AUECHBEKSA-N
MW360.41 g/mol
LogP1.51
Rot. Bonds7

About [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate

[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate (PubChem CID 8560350) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
PubChem CID8560350
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
SMILESCCOc1ccccc1/C=C/C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O
InChIInChI=1S/C19H24N2O5/c1-2-25-16-9-4-3-7-14(16)10-11-18(23)26-13-17(22)21-12-6-5-8-15(21)19(20)24/h3-4,7,9-11,15H,2,5-6,8,12-13H2,1H3,(H2,20,24)/b11-10+/t15-/m1/s1
InChIKeyBZFPRWUZTVGUIJ-AUECHBEKSA-N
XLogP1.51
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-ethoxybenzoate
CID 9197434
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 9286715
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 9019154
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(2-bromo-4-methylphenyl)prop-2-enoate
CID 8624885
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate
CID 8650190
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 42983598
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 8560480
(2-oxo-2-piperidin-1-ylethyl) (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2371643
[2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 7850926
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 7850402
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 11917638
[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 9487687

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate?
The IUPAC name of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate (CID 8560350) is [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate.
What is the SMILES notation for [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate?
The canonical SMILES for [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate is CCOc1ccccc1/C=C/C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O.
What is the InChIKey of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate?
The InChIKey is BZFPRWUZTVGUIJ-AUECHBEKSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-2-25-16-9-4-3-7-14(16)10-11-18(23)26-13-17(22)21-12-6-5-8-15(21)19(20)24/h3-4,7,9-11,15H,2,5-6,8,12-13H2,1H3,(H2,20,24)/b11-10+/t15-/m1/s1.
What are the key properties of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate?
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate has a molecular weight of 360.41 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 8560350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).